BROMTHYMOL BLUE SODIUM

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H27Br2O5S.Na
Molecular Weight	646.363
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].CC(C)C1=C\C(=C(\C2=CC=CC=C2S([O-])(=O)=O)C3=C(C)C(Br)=C(O)C(=C3)C(C)C)C(C)=C(Br)C1=O

InChI

InChIKey=NMKFVGALBGZKGW-FKWCIMQXSA-M

InChI=1S/C27H28Br2O5S.Na/c1-13(2)18-11-20(15(5)24(28)26(18)30)23(17-9-7-8-10-22(17)35(32,33)34)21-12-19(14(3)4)27(31)25(29)16(21)6;/h7-14,30H,1-6H3,(H,32,33,34);/q;+1/p-1/b23-21+;

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C27H27Br2O5S
Molecular Weight	623.373
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 20:00:18 GMT 2023` Edited by `admin` on `Sat Dec 16 20:00:18 GMT 2023`
Record UNII	CFN0FBC3YH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BROMTHYMOL BLUE SODIUM

Common Name

English

PHENOL, 4,4'-(1,1-DIOXIDO-3H-2,1-BENZOXATHIOL-3-YLIDENE)BIS(2-BROMO-3-METHYL-6-(1-METHYLETHYL)-, MONOSODIUM SALT

Common Name

English

BROMTHYMOL BLUE SODIUM SALT [MI]

Common Name

English

SODIUM BROMOTHYMOL BLUE

Official Name

English

BENZENESULFONIC ACID, 2-((3-BROMO-4-HYDROXY-2-METHYL-5-(1-METHYLETHYL)PHENYL)(3-BROMO-2-METHYL-5-(1-METHYLETHYL)-4-OXO-2,5-CYCLOHEXADIEN-1-YLIDENE)METHYL)-, SODIUM SALT (1:1)

Common Name

English

PHENOL, 4,4'-(3H-2,1-BENZOXATHIOL-3-YLIDENE)BIS(2-BROMO-3-METHYL-6-(1-METHYLETHYL)-, S,S-DIOXIDE, MONOSODIUM SALT

Common Name

English

Code System Code Type Description

ECHA (EC/EINECS)

252-169-7